[Chimera-users] scan and minimization of dihedral angle

Eric Pettersen pett at cgl.ucsf.edu
Tue Aug 26 11:49:33 PDT 2014


On Aug 26, 2014, at 9:47 AM, Milo Westler <milo at nmrfam.wisc.edu> wrote:

> 2). create a torsion angle and write that value to a file (Tools-> Structure Analysis -> Angles/Torsions -> select ->create->save)

Probably the easiest path is to use the "rotation" command to both create the bond rotation and to increment its value.  You can use the Python equivalent of the "angle" command to get the torsion value after each change, e.g.:

from Midas import angle
dihed = angle(":241,a at CA,CB,CG,ND")

--Eric

                        Eric Pettersen
                        UCSF Computer Graphics Lab
                        http://www.cgl.ucsf.edu


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://plato.cgl.ucsf.edu/pipermail/chimera-users/attachments/20140826/307bc629/attachment-0001.html>


More information about the Chimera-users mailing list